N-(3-methoxypropyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-(3-methoxypropyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V030-3081 |
| Compound Name: | N-(3-methoxypropyl)-N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C31 H36 N2 O6 S |
| Smiles: | CC(C)c1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CCCOC)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3921 |
| logD: | 5.3921 |
| logSw: | -5.4337 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.723 |
| InChI Key: | PECLCMKJEHYMDD-SANMLTNESA-N |